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Wyniki wyszukiwania dla: BINARY SYSTEM
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Uncertainty of antioxidant profiling in complex mixtures using liquid chromatography involving post-column derivatisation
PublikacjaThe main goal of this paper is to discuss the problems associated with antioxidant profiling in complex samples using a high-throughput HPLC system coupled with post-column derivatisation reactor. Based on the experimental data reported in the literature, we demonstrated that improper optimisation of temperature and/or pH assay conditions performed using an on-line derivatisation reactor may substantially change the antioxidant...
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Activation Energy and Inclination Magnetic Dipole Influences on Carreau Nanofluid Flowing via Cylindrical Channel with an Infinite Shearing Rate
PublikacjaThe infinite shear viscosity model of Carreau fluid characterizes the attitude of fluid flow at a very high/very low shear rate. This model has the capacity for interpretation of fluid at both extreme levels, and an inclined magnetic dipole in fluid mechanics has its valuable applications such as magnetic drug engineering, cold treatments to destroy tumors, drug targeting, bio preservation, cryosurgery, astrophysics, reaction kinetics,...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublikacjaDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Deep convolutional neural network for predicting kidney tumour malignancy
PublikacjaPurpose: According to the statistics, up to 15-20% of removed solid kidney tumors turn out to be benign in postoperative histopathological examination, despite having been identified as malignant by a radiologist. The aim of the research was to limit the number of unnecessary nephrectomies of benign tumors. Methods or Background: We propose a machine-aided diagnostic system for kidney...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublikacjaAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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Digital structures for high-speed signal processing
PublikacjaThe work covers several issues of realization of digital structures for pipelined processing of real and complex signals with the use of binary arithmetic and residue arithmetic. Basic rules of performing operations in residue arithmetic are presented along with selected residue number systems for processing of complex signals and computation of convolution. Subsequently, methods of conversion of numbers from weighted systems to...
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublikacjaOne of the striking properties of quantum mechanics is the occurrence of the Bell-type non-locality. They are a fundamental feature of the theory that allows two parties that share an entangled quantum system to observe correlations stronger than possible in classical physics. In addition to their theoretical significance, non-local correlations have practical applications, such as device-independent randomness generation, providing...
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Deep learning for ultra-fast and high precision screening of energy materials
PublikacjaSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublikacjaNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Looking for a minimum exergy destruction in hierarchical cycle
PublikacjaThe paper presents results of energy analysis, complemented with an exergy balance, of hierarchical thermodynamic cycle. Proposed cycle is a binary vapour cycle based on a model of real supercritical steam power plant. Energy analysis is used to preliminary optimization of the cycle and the exergy losses analysis is proposed to perform optimization of heat transfer processes, which are essential for hierarchical cycles. Proposed...
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A Population-Based Method with Selection of a Search Operator
PublikacjaThis paper presents a method based on a population in which the parameters of individuals can be processed by operators from various population-based algorithms. The mechanism of selecting operators is based on the introduction of an additional binary parameters vector located in each individual, on the basis of which it is decided which operators are to be used to modify individuals’ parameters. Thus, in the proposed approach,...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublikacjaSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Cross sections calculations for electron scattering from dimethylamine, NH(CH3)2, molecule
PublikacjaThe total cross section for single electron-impact ionization and the integral elastic cross section for electron scattering from dimethylamine have been calculated using the binary-encounter-Bethe model and the independent atom method, respectively.
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Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublikacjaA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
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Fabrication and Structural Properties of LaNb 1‐x As x O 4 Ceramics
PublikacjaLanthanum niobate substituted with arsenic was synthesized by three methods: solid state reaction from binary oxides and two different methods combining co-precipitation and solidstate reaction. In the first of the combined methods LaNb1- xAsxO4 was synthesized from LaAsO4, obtained from coprecipitation method, and lanthanum and niobium oxides. In the second LaNbO4 was first synthesized from binary oxides and then mixed with LaAsO4...
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Material Design and Optimisation of Electrochemical Li-Ion Storage Properties of Ternary Silicon Oxycarbide/Graphite/Tin Nanocomposites
PublikacjaIn this work, we present the characterization and electrochemical performance of various ternary silicon oxycarbide/graphite/tin (SiOC/C/Sn) nanocomposites as anodes for lithium-ion batteries. In binary SiOC/Sn composites, tin nanoparticles may be produced in situ via carbothermal reduction of SnO2 to metallic Sn, which consumes free carbon from the SiOC ceramic phase, thereby limiting the carbon content in the final ceramic nanocomposite....
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublikacjaThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
PublikacjaA comprehensive experimental and theoretical screening was performed for identification of curcumin solubilizers. Experimental data led to formulation of a non-linear QSPR model correlating molecular descriptors with measured solubilities. The majority of synthesized binary systems exhibited a moderate enhancement of curcumin solubility, which was found to be the highest in the case of curcumin cocrystallized with pyrogallol. New...
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublikacjaSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublikacjaAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublikacjaCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Phase Transition in a Sequence-Structure Channel
PublikacjaWe study an interesting channel which maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics. The channel is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. We estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits an unusual phase transition...
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Stanowisko do analizy sygnałów przesyłanych w kanale hydroakustycznym
PublikacjaOpisano stanowisko badawcze, za pomocą którego wyznaczano odpowiedzi kanału hydroakustycznego na pobudzenie sygnałem modulowanym ciągiem pseudoprzypadkowym PRBS (Pseudo Random Binary Sequence) oraz przeprowadzono eksperymenty z transmisją danych z rozpraszaniem widma metodą bezpośrednią. Omówiono wyniki badań w warunkach laboratoryjnych oraz w jeziorze i basenie portu morskiego. Badania wykonano w warunkach statycznych.
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublikacjaWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Microwave-assisted synthesis of a TiO2-CuO heterojunction with enhanced photocatalytic activity against tetracycline
PublikacjaA microwave method was used for the synthesis of TiO2-CuO oxide systems. A detailed investigation was made of the effect of the molar ratio of components (TiO2:CuO=9:1, 7:3, 5:5, 3:7, 1:9) on the crystalline structure and morphology. Transmission electron microscopy (TEM) confirmed the presence of octahedral and rod-shaped titania particles and sheet copper(II) oxide particles; moreover, HRTEM analysis indicated the presence of...
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Analyzing sets of phylogenetic trees obtained from bayesian MCMC process using topology metrics
PublikacjaThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationship between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations amongorganisms and geographical areas.In the paper, we describe a general method for comparing hylogenetic trees....
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Ecotoxicological equilibria of triclosan inMicrotox, XenoScreen YES/YAS, Caco2, HEPG2 and liposomal systems are affected by the occurrence of other pharmaceutical and personal care emerging contaminants
PublikacjaContaminants of emerging concernmay be considered as any chemicals or factorswhose unintended continuous release and persistence in the environmentmay lead to any observable undesirable response of living beings. Still not much is known on reciprocal toxicological impact of given chemicals when present in binary or more complex mixtures. In thiswork, an attemptwas thus undertaken to study the impact of butylparaben,methylparaben and...
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NO-BROADCASTING OF NON-SIGNALLING BOXES VIA OPERATIONS WHICH TRANSFORM LOCAL BOXES INTO LOCAL ONES
PublikacjaWe deal with families of probability distributions satisfying non-signalling condition, called non-signalling boxes and consider a class of operations that transform local boxes into local ones (the one that admit LHV model). We prove that any operation from this class cannot broadcast a bipartite non-local box with 2 binary inputs and outputs. We consider a function called anti-Robustness which can not decrease under these operations....
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublikacjaCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Trade-offs in multiparty Bell-inequality violations in qubit networks
PublikacjaTwo overlapping bipartite binary input Bell inequalities cannot be simultaneously violated as this would contradict the usual no-signalling principle. This property is known as monogamy of Bell inequality violations and generally Bell monogamy relations refer to trade-offs between simultaneous violations of multiple inequalities. It turns out that multipartite Bell inequalities admit weaker forms of monogamies that allow for violations...
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Segmentation-Based BI-RADS ensemble classification of breast tumours in ultrasound images
PublikacjaBackground: The development of computer-aided diagnosis systems in breast cancer imaging is exponential. Since 2016, 81 papers have described the automated segmentation of breast lesions in ultrasound images using arti- ficial intelligence. However, only two papers have dealt with complex BI-RADS classifications. Purpose: This study addresses the automatic classification of breast lesions into binary classes (benign vs. ma- lignant)...
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Face Recognition: Shape versus Texture
PublikacjaThis paper describes experiments related to the application of well-known techniques of the texture feature extraction (Local Binary Patterns and Gabor filtering) to the problem of automatic face verification. Results of the tests show that simple image normalization strategy based on the eye center detection and a regular grid of fiducial points outperforms the more complicated approach, employing active models that are able to...
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Implementation of magnitude calculation of complex numbers using improved alpha max plus beta min algorithm
PublikacjaThe paper presents the hardware implementation of the improved alpha max plus beta min algorithm for calculating the magnitude of complex numbers. This version of the algorithm requires the general division which is performed using a noniterative multiplicative division algorithm. We analyze in detail the division algorithm, its error and the impact of finite word-length signal representations on the assumed total computation error....
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A method for testing the wide-sense stationary uncorrelated scattering assumption fulfillment for an underwater acoustic channel
PublikacjaWide-sense stationary and uncorrelated scattering (WSSUS) assumptions are often applied for the statistical description of wireless communication channels. However, in the case of underwater acoustic channels the WSSUS model is of limited value. The degree of similarity of in-phase and quadrature components of the channel impulse response, measured with the use of bandpass modulated signals, can be used as an indicator of WSSUS...
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Pipelined division of signed numbers with the use of residue arithmetic for small number range with the programmable gate array
PublikacjaIn this work an architecture of the pipelined signed residue divider for the small number range is presented. Its operation is based on reciprocal calculation and multiplication by the dividend. The divisor in the signed binary form is used to compute the approximated reciprocal in the residue form by the table look-up. In order to limit the look-up table address an algorithm based on segmentation of the divisor into two segments...
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Analyzing sets of phylogenetic trees using metrics
PublikacjaThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationships between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations among organisms and geographical areas. In this paper, we describe a general method for comparing phylogenetictrees...
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Geometric Algebra Model of Distributed Representations
PublikacjaFormalism based on GA is an alternative to distributed representation models developed so far-Smolensky's tensor product, Holographic Reduced Representations (HRR) and Binary Spatter Code (BSC). Convolutions are replaced by geometric products, interpretable in terms of geometry which seems to be the most natural language for visualization of higher concepts. This paper recalls the main ideas behind the GA model and investigates...
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Band engineering of BiOBr based materials for photocatalytic wastewater treatment via advanced oxidation processes (AOPs) – A review
PublikacjaSemiconductor based photocatalysts have been an efficient technology for water and wastewater remediation, addressing the concepts of green chemistry and sustainable development. Owing to narrow and suitable band structure, BiOBr is a promising candidate for efficient wastewater treatment via photocatalysis. Enhancement of photocatalytic properties can be obtained by various techniques like doping, element rich strategy, facet...
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Cross sections for electron scattering from selected components of DNA and RNA
PublikacjaWykorzystując metodę atomów niezależnych obliczono różniczkowe i całkowite przekroje czynne na sprężyste rozproszenie elektronów na wybranych drobinach, będących analogami składników DNA i RNA. Przekroje te obliczono w zakresie energii zderzenia od 50eV do 200 eV dla następujących drobin: C4H8O, C4H8O2, C5H10O2 oraz H3PO4. Przy użyciu metody BEB (binary-ecounter Bethe method) dla powyższych związków obliczono również przekroje...
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Improving Effectiveness of SVM Classifier for Large Scale Data
PublikacjaThe paper presents our approach to SVM implementation in parallel environment. We describe how classification learning and prediction phases were pararellised. We also propose a method for limiting the number of necessary computations during classifier construction. Our method, named one-vs-near, is an extension of typical one-vs-all approach that is used for binary classifiers to work with multiclass problems. We perform experiments...
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On DoA estimation for rotating arrays using stochastic maximum likelihood approach
PublikacjaThe flexibility needed to construct DoA estimators that can be used with rotating arrays subject to rapid variations of the signal frequency is offered by the stochastic maximum likelihood approach. Using a combination of analytic methods and Monte Carlo simulations, we show that for low and moderate source correlations the stochastic maximum likelihood estimator that assumes noncorrelated sources has accuracy comparable to the...
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Pipelined division of signed numbers with the use of residue arithmetic in FPGA
PublikacjaAn architecture of a pipelined signed residue divider for small number ranges is presented. The divider makes use of the multiplicative division algorithm where initially the reciprocal of the divisor is calculated and subsequently multiplied by the dividend. The divisor represented in the signed binary form is used to compute the approximated reciprocal in the residue form by the table look-up. In order to reduce the needed length...
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Electron impact ionization and cationic fragmentation of the pyridazine molecules
PublikacjaElectron impact mass spectroscopy was used to investigate ionization and cationic fragmentation of the pyridazine (1,2 diazine), C4H4N2, molecules in the gas phase. The mass spectra were measured and the observed mass peaks assigned to the corresponding cations. The appearance energies of most of the cationic fragments were determined and the possible fragmentation processes are discussed. The total cross section for electron...
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Exploring the cocrystallization potential of urea and benzamide
PublikacjaThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Strong Monogamies of No-Signaling Violations for Bipartite Correlation Bell Inequalities
PublikacjaThe phenomenon of monogamy of Bell inequality violations is interesting both from the fundamental perspective as well as in cryptographic applications such as the extraction of randomness and secret bits. In this article, we derive new and stronger monogamy relations for violations of Bell inequalities in general no-signaling theories. These relations are applicable to the class of binary output correlation inequalities known as...
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PARAMETRIC ANALYSIS OF THE EFFICIENCY OF THE COMBINED GAS-STEAM TURBINE UNIT OF A HYBRID CYCLE FOR THE FPSO VESSEL
PublikacjaA thermal diagram of the combined gas‒steam turbine unit of a hybrid cycle, which is an energy complex consisting of a base gas turbine engine with a steam turbine heat recovery circuit and a steam-injected gas turbine operating with overexpansion, is proposed. A mathematical model of a power plant has been developed, taking into consideration the features of thermodynamic processes of simple, binary, and steam-injected...
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Two Stage SVM and kNN Text Documents Classifier
PublikacjaThe paper presents an approach to the large scale text documents classification problem in parallel environments. A two stage classifier is proposed, based on a combination of k-nearest neighbors and support vector machines classification methods. The details of the classifier and the parallelisation of classification, learning and prediction phases are described. The classifier makes use of our method named one-vs-near. It is...
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The complexity of bicriteria tree-depth
PublikacjaThe tree-depth problem can be seen as finding an elimination tree of minimum height for a given input graph G. We introduce a bicriteria generalization in which additionally the width of the elimination tree needs to be bounded by some input integer b. We are interested in the case when G is the line graph of a tree, proving that the problem is NP-hard and obtaining a polynomial-time additive 2b-approximation algorithm. This particular...
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Formation enthalpies of LaLn׳O3 (Ln׳=Ho, Er, Tm and Yb) interlanthanide perovskites
PublikacjaHigh-temperature oxide melt solution calorimetry using 3Na2O·MoO3 at 802 °C was performed for interlanthanide perovskites LaLn׳O3 (Ln׳=Ho, Er, Tm and Yb) and lanthanide oxides (La2O3, Ho2O3, Er2O3, Tm2O3 and Yb2O3). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be −8.3±3.4 kJ/mol for LaHoO3, −9.9±3.0 kJ/mol for LaErO3, −10.8±2.7 kJ/mol...